Information card for entry 4069285

Structure parameters

• Formula: C30 H46 Hf Si4
• Calculated formula: C30 H46 Hf Si4
• SMILES: C1(=C(C(=C([Hf]234567891([cH]1[cH]2[cH]3[cH]4[cH]51)[cH]1[cH]9[cH]8[cH]7[cH]61)[Si](C)(C)C)C#C[Si](C)(C)C)[Si](C)(C)C)C#C[Si](C)(C)C
• Title of publication: Synthesis and Isolation of Di-n-butylhafnocene and Its Application as a Versatile Starting Material for the Synthesis of New Hafnacycles
• Authors of publication: Burlakov, Vladimir V.; Beweries, Torsten; Bogdanov, Vyacheslav S.; Arndt, Perdita; Baumann, Wolfgang; Petrovskii, Pavel V.; Spannenberg, Anke; Lyssenko, Konstantin A.; Shur, Vladimir B.; Rosenthal, Uwe
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 9
• Pages of publication: 2864
• a: 11.12668 ± 0.00015 Å
• b: 19.9661 ± 0.0004 Å
• c: 30.5895 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6795.65 ± 0.19 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0298
• Residual factor for significantly intense reflections: 0.0195
• Weighted residual factors for significantly intense reflections: 0.0429
• Weighted residual factors for all reflections included in the refinement: 0.0446
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No